4-bromanyl-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride

Systemtic Name: 4-bromanyl-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride Openeye Name: 4-bromo-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride CAS Name: 4-bromo-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride IUPAC Name: 4-bromo-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride Traditional Name: 4-bromo-3-(3-chlorophenyl)-1-ethyl-5-(4-ethylphenyl)pyridin-1-ium chloride Formula: C21H20BrCl2N MolecularWeight: 437.2002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C[N+](=CC(=C2Br)C3=CC(=CC=C3)Cl)CC.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C[N+](=CC(=C2Br)C3=CC(=CC=C3)Cl)CC.[Cl-]

InChI

InChI=1S/C21H20BrClN.ClH/c1-3-15-8-10-16(11-9-15)19-13-24(4-2)14-20(21(19)22)17-6-5-7-18(23)12-17;/h5-14H,3-4H2,1-2H3;1H/q+1;/p-1